COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049516
Chemical Name: (5E)-1-(4-fluorobenzyl)-4,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\N[NH+]2CCCCC2)/C1=O)[S-]

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Molecular Weight: 362.43
Empirical Formula: C17H19FN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.937
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 3

     

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